The 64th JSAP Spring Meeting, 2017

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12 Organic Molecules and Bioelectronics » 12.5 Organic solar cells

[17a-303-1~16] 12.5 Organic solar cells

Fri. Mar 17, 2017 9:00 AM - 1:30 PM 303 (303)

Takaya Kubo(Univ. of Tokyo), Masashi Ikegami(Toin Univ. of Yokohama), Hajime Shirai(Saitama Univ.)

11:45 AM - 12:00 PM

[17a-303-11] Search for ternary compound in Cs-X-I system

〇Satoshi Iikubo1, Jun Yamasaki1, Kumiko Yamamoto1, Yuhei Ogomi1, Shuzi Hayase1 (1.Kyutech)

Keywords:material search, perovskite solar cell

Using first-principles calculation, ground state search in Cs-X-I ternary system has been performed in order to obtain lead-free candidate showing high photoelectric conversion efficiency. Evolutionary algorithm is employed to explore stable structures, which shows the lowest formation energy at each chemical composition. As a result, undiscovered ternary compound was found as a ground state, except for perovskite structure.